(2S)-1-(azepan-1-ium-1-yl)-3-phenoxy-propan-2-ol

Systemtic Name: (2S)-1-(azepan-1-ium-1-yl)-3-phenoxy-propan-2-ol Openeye Name: (2S)-1-(azepan-1-ium-1-yl)-3-phenoxy-propan-2-ol CAS Name: (2S)-1-(1-azepan-1-iumyl)-3-phenoxy-2-propanol IUPAC Name: (2S)-1-(azepan-1-ium-1-yl)-3-phenoxypropan-2-ol Traditional Name: (2S)-1-(azepan-1-ium-1-yl)-3-phenoxy-propan-2-ol Formula: C15H24NO2+ MolecularWeight: 250.35656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(COC2=CC=CC=C2)O

Isomeric SMILES

C1CCC[NH+](CC1)C[C@@H](COC2=CC=CC=C2)O

InChI

InChI=1S/C15H23NO2/c17-14(12-16-10-6-1-2-7-11-16)13-18-15-8-4-3-5-9-15/h3-5,8-9,14,17H,1-2,6-7,10-13H2/p+1/t14-/m0/s1